Information card for entry 7701639

Structure parameters

• Formula: C7 H17 Cl3 Mn N2 O
• Calculated formula: C7 H17 Cl3 Mn N2 O
• Title of publication: Investigation of the magnetic anisotropy in a series of trigonal bipyramidal Mn(ii) complexes.
• Authors of publication: Hay, Moya A.; Sarkar, Arup; Marriott, Katie E. R.; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 41
• Pages of publication: 15480 - 15486
• a: 7.8885 ± 0.0019 Å
• b: 9.447 ± 0.003 Å
• c: 8.269 ± 0.002 Å
• α: 90°
• β: 96.572 ± 0.006°
• γ: 90°
• Cell volume: 612.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No